263645

Source:http://linkedlifedata.com/resource/chembl/compound/263645

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C20H24N6O7/c21-20-25-16-15(18(30)26-20)23-11(9-22-16)7-8-33-12-3-1-10(2-4-12)17(29)24-13(19(31)32)5-6-14(27)28/h1-4,11,13,23H,5-9H2,(H,24,29)(H,27,28)(H,31,32)(H4,21,22,25,26,30)
chemicalCompound:standardIn...	IWNUAZBCFBMWGB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nc(O)c2NC(CCOc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)CNc2n1
chemicalCompound:molecularF...	C20 H24 N6 O7
chemicalCompound:moleculeId	263645
chemicalCompound:mwFreebase	460.441
chemicalCompound:alogp	0.224
chemicalCompound:hba	12
chemicalCompound:hbd	7
chemicalCompound:psa	209.02
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	-0.662
chemicalCompound:acdLogP	1.602
chemicalCompound:acdLogD	-2.87
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	460.441
chemicalCompound:acdMostBpk...	11.443
chemicalCompound:chemblId	CHEMBL429345
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:363645
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:31946, activity:31947, activity:31948, activity:31949, activity:58945, activity:58946, activity:58947, activity:58948